N-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide

C20H27N5O2 — CID 137263125

IUPACN-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide
SMILESCc1nc(-c2ccc(N3CCCC(NC(=O)C(C)C)C3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C20H27N5O2/c1-12(2)19(26)23-16-6-5-9-25(11-16)17-8-7-15(10-21-17)18-22-14(4)13(3)20(27)24-18/h7-8,10,12,16H,5-6,9,11H2,1-4H3,(H,23,26)(H,22,24,27)
InChIKeyUGQIMSKQFINUNX-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.19
Rot. Bonds4

About N-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide

N-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide (PubChem CID 137263125) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide
PubChem CID137263125
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide
SMILESCc1nc(-c2ccc(N3CCCC(NC(=O)C(C)C)C3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C20H27N5O2/c1-12(2)19(26)23-16-6-5-9-25(11-16)17-8-7-15(10-21-17)18-22-14(4)13(3)20(27)24-18/h7-8,10,12,16H,5-6,9,11H2,1-4H3,(H,23,26)(H,22,24,27)
InChIKeyUGQIMSKQFINUNX-UHFFFAOYSA-N
XLogP2.19
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide (CID 137263125) is N-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide is Cc1nc(-c2ccc(N3CCCC(NC(=O)C(C)C)C3)nc2)[nH]c(=O)c1C.
What is the InChIKey of N-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide?
The InChIKey is UGQIMSKQFINUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-12(2)19(26)23-16-6-5-9-25(11-16)17-8-7-15(10-21-17)18-22-14(4)13(3)20(27)24-18/h7-8,10,12,16H,5-6,9,11H2,1-4H3,(H,23,26)(H,22,24,27).
What are the key properties of N-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide?
N-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide has a molecular weight of 369.47 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 137263125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).